Molecule ID: mol1247
SMILES: CN1CCC(c2ccccc2)(c2ccccc2)CC1
InChI: InChI=1S/C18H21N/c1-19-14-12-18(13-15-19,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.65 | QSARToolbox | 1 » 0 |
| 8.65 | IUPAC digitized pKa | 1 » 0 |
| 8.65 | Hunt | 1 » 0 |
| 8.65 | OCHEM | 1 » 0 |